6,7,8-tris(fluoranyl)-1-(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6,7,8-tris(fluoranyl)-1-(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(1-carboxy-3-methylsulfanyl-propyl)-6,7,8-trifluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,7,8-trifluoro-1-[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,7,8-trifluoro-1-(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[1-carboxy-3-(methylthio)propyl]-6,7,8-trifluoro-4-keto-quinoline-3-carboxylic acid Formula: C15H12F3NO5S MolecularWeight: 375.31969

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N1C=C(C(=O)C2=CC(=C(C(=C21)F)F)F)C(=O)O

Isomeric SMILES

CSCCC(C(=O)O)N1C=C(C(=O)C2=CC(=C(C(=C21)F)F)F)C(=O)O

InChI

InChI=1S/C15H12F3NO5S/c1-25-3-2-9(15(23)24)19-5-7(14(21)22)13(20)6-4-8(16)10(17)11(18)12(6)19/h4-5,9H,2-3H2,1H3,(H,21,22)(H,23,24)